SCHEMBL6389146

SCHEMBL6389146

O=C1OC2(c3ccc(O)cc3Oc3cc(O)c(I)c(I)c32)c2c(I)c(I)c(I)c(I)c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
ALOX12 P18054 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
BRCA1 P38398 1/20 0.54
HSD17B10 Q99714 1/20 0.54
FTO Q9C0B1 10/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
RECQL P46063 3/20 0.50
BLM P54132 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
SMAD3 P84022 2/20 0.50
HTT P42858 2/20 0.50
ACE2 Q9BYF1 2/20 0.50
CYP2C19 P33261 1/20 0.50
PRMT1 Q99873 1/20 0.50
THRB P10828 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10392291 0.90 HPGD (0.49) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL486832 0.90 HPGD (0.64) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL4304748 0.89 HPGD (0.63) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL1263259 0.89 HPGD (0.63) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL7454803 0.89 ALDH1A1 (0.50) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL11206362 0.86 HPGD (0.52) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL4650316 0.82 HPGD (0.50) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL16432229 0.80 HPGD (0.58) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL3861217 0.77 HPGD (0.61) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL2360878 0.76 FTO (0.63) HPGDALOX12ALDH1A1CYP2C9ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578454-A1 ULTRASOUND CONTRAST USING HALOGENATED XANTHENES Xantech Pharmaceuticals, Inc. (US) 2005-09-28 EP disclosed
WO-2004052407-A1 ULTRASOUND CONTRAST USING HALOGENATED XANTHENES XANTECH PHARMACEUTICALS, INC. (US) 2004-06-24 WO disclosed
EP-1311261-A4 MEDICAMENTS FOR CHEMOTHERAPEUTIC TREATMENT OF DISEASE PHOTOGEN INC (US) 2004-06-02 EP disclosed
EP-1311261-A1 MEDICAMENTS FOR CHEMOTHERAPEUTIC TREATMENT OF DISEASE Photogen, Inc. (US) 2003-05-21 EP disclosed
WO-2002005812-A1 MEDICAMENTS FOR CHEMOTHERAPEUTIC TREATMENT OF DISEASE PHOTOGEN, INC. (US) 2002-01-24 WO disclosed